5J4H

Structure of humanised RadA-mutant humRadA22F in complex with indole-6-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	40.459, 61.122, 87.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.157 - 1.374
R-factor	0.1342
Rwork	0.132
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo_structure
RMSD bond length	0.004
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.122	1.378
High resolution limit [Å]	1.374	1.374
Rmerge	0.056	0.662
Number of reflections	44591
<I/σ(I)>	17.7	2
Completeness [%]	96.5	76.7
Redundancy	5.3	4.4
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.08M NaCacodylate pH=6.5, 0.16M CaAcetate, 18% PEG 8000, 20% glycerol soaking: 10% DMSO, 5mM compound